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85169-22-8 | 2-METHOXYETHYL 4-AMINO-3-BROMO-5-NITROBENZOATE
CAS No: 85169-22-8 Catalog No: AG004MX2 MDL No:
Product Description
Catalog Number:
AG004MX2
Chemical Name:
2-METHOXYETHYL 4-AMINO-3-BROMO-5-NITROBENZOATE
CAS Number:
85169-22-8
Molecular Formula:
C10H11BrN2O5
Molecular Weight:
319.1087
IUPAC Name:
2-methoxyethyl 4-amino-3-bromo-5-nitrobenzoate
InChI:
InChI=1S/C10H11BrN2O5/c1-17-2-3-18-10(14)6-4-7(11)9(12)8(5-6)13(15)16/h4-5H,2-3,12H2,1H3
InChI Key:
VSZRJUOHUCALQG-UHFFFAOYSA-N
SMILES:
COCCOC(=O)c1cc(Br)c(c(c1)[N+](=O)[O-])N
EC Number:
285-964-2
Properties
Complexity:
309
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
317.985g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
319.111g/mol
Monoisotopic Mass:
317.985g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
107A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2
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